2014 – presentPostdoctoral researcher, Department of Chemical Engineering and Materials Science, University of Minnesota, USA
"Endothermic Cracking of Jet Fuels" (Advisor: Matthew Neurock)
2009 – 14Ph.D., Department of Chemical Engineering and Materials Science, University of Minnesota, USA
"Monte Carlo Simulation of Adsorption of Complex Molecules onto Zeolites" (Advisors: J. Ilja Siepmann and Michael Tsapatsis)
2005 – 09B.Sc., Department of Chemical Engineering, Tsinghua University, China
2014ACS Chemical Computing Group Excellence Award
2013AIChE CoMSEF Graduate Student Award
2013Overend Award for Graduate Research in Physical Chemistry, University of Minnesota
2012 – 13Doctoral Dissertation Fellowship, University of Minnesota
2009 – 12Graduate School Fellowship, University of Minnesota
20121st Place (out of 5 entries), 7th Industrial Fluid Properties Simulation Challenge
20102nd Place (out of 9 entries), 6th Industrial Fluid Properties Simulation Challenge
2009Beijing Outstanding Graduates Award, Tsinghua University
2007 – 08National Fellowship, Tsinghua University
2006 – 07Dow Chemical Fellowship, Tsinghua University
  • 3. M. Tsapatsis, M. Y. Jeon, P. S. Lee, D. Kim, P. Kumar, K. A. Mkhoyan, P. Bai, J. I. Siepmann, “Direct Synthesis of High-aspect Ratio Zeolite Nanosheets,” Invention Disclosure.
  • 2. J. I. Siepmann, P. Bai, M. Tsapatsis, “Zeolites for separation of ethanol and water,” PCT Application Number PCT/US15/41566.
  • 1. J. I. Siepmann, P. Bai, M. Tsapatsis, M. Deem, “Zeolites for hydrocarbon conversion,” PCT Application Number PCT/US15/41544.
Publications: (ResearcherID,Scopus,Google Scholar)
22. B. Huang, P. Bai (equal contribution), M. Neurock, and R. J. Davis, “Conversion of n-hexane and n-dodecane over H-ZSM-5, H-Y and Al-MCM-41 at supercritical conditions,”Appl. Catal. A,546,149-158 (2017).21. Y. G. Chung, P. Bai (equal contribution), M. Haranczyk, K. T. Leperi, P. Li, H. Zhang, T. C. Wang, T. Duerinck, F. You, J. T. Hupp, O. K. Farha, J. I. Siepmann, and R. Q. Snurr, “Computational screening of nanoporous materials for hexane and heptane isomer separation,”Chem. Mater.,29,6315-6328 (2017).20. N. Mittal, P. Bai, J. I. Siepmann, P. Daoutidis, and M. Tsapatsis, “Bioethanol enrichment using zeolite membranes: Molecular modeling, conceptual process design and techno-economic analysis,”J. Membr. Sci.,540,464-476 (2017).19. R. Tiriolo, N. Rangnekar, H. Zhang, M. Shete, P. Bai, J. Nelson, E. Karapetrova, C. W. Macosko, J. I. Siepmann, E. Lamanna, A. Lavano, and M. Tsapatsis, “Sub-micrometer zeolite films on gold-coated silicon wafers with single-crystal-like dielectric constant and elastic modulus,”Adv. Funct. Mater.,27,1700864 (2017).18. M. Y. Jeon, D. Kim, P. Kumar, P. S. Lee, N. Rangnekar, P. Bai, M. Shete, B. Elyassi, H. S. Lee, K. Narasimharao, S. N. Basahel, S. Al-Thabaiti, W. Xu, H. J. Cho, E. O. Fetisov, R. Thyagarajan, R. F. DeJaco, W. Fan, K. A. Mkhoyan, J. I. Siepmann, and M. Tsapatsis, “Ultra-selective high-flux membranes from directly synthesized zeolite nanosheets,”Nature,543,690-694 (2017).17. P. Bai and J. I. Siepmann, “Assessment and optimization of configurational-bias Monte Carlo particle swap strategies for simulations of water in the Gibbs ensemble,”J. Chem. Theory Comput.,13,431-440 (2017).16. P. Bai, E. Haldoupis, P. J. Dauenhauer, M. Tsapatsis, and J. I. Siepmann, “Understanding diffusion in hierarchical zeolites with house-of-cards nanosheets,”ACS Nano,10,7612-7618 (2016).15. N. Mittal, P. Bai, A. Kelloway, J. I. Siepmann, P. Daoutidis, and M. Tsapatsis, “A mathematical model for zeolite membrane module performance and its use for techno-economic evaluation of improved energy efficiency hybrid membrane-distillation processes for butane isomer separations,”J. Membr. Sci.,520,434-449 (2016).14. R. F. Dejaco, P. Bai, M. Tsapatsis, and J. I. Siepmann, “Adsorptive separation of 1-butanol from aqueous solutions using MFI-and FER-Type zeolite frameworks: A Monte Carlo study,”Langmuir,32,2093-2101 (2016).13. M. Dinpajooh, P. Bai (equal contribution), D. A. Allan, and J. I. Siepmann, “Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations,”J. Chem. Phys.,143, (2015).12. E. Haldoupis, J. Borycz, H. Shi, K. D. Vogiatzis, P. Bai, W. L. Queen, L. Gagliardi, and J. I. Siepmann, “Ab initio derived force fields for predicting CO2 adsorption and accessibility of metal sites in the metal-organic frameworks M-MOF-74 (M = Mn, Co, Ni, Cu),”J. Phys. Chem. C,119,16058-16071 (2015).11. P. Bai, M. Y. Jeon, L. Ren, C. Knight, M. W. Deem, M. Tsapatsis, and J. I. Siepmann, “Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling,”Nat. Commun.,6,5912 (2015).10. C. H. Wang, P. Bai, J. I. Siepmann, and A. E. Clark, “Deconstructing hydrogen-bond networks in confined nanoporous materials: Implications for alcohol-water separation,”J. Phys. Chem. C,118,19723-19732 (2014).9. P. Bai, D. H. Olson, M. Tsapatsis, and J. I. Siepmann, “Understanding the unusual adsorption behavior in hierarchical zeolite nanosheets,”ChemPhysChem,15,2225-2229 (2014).8. S. J. Keasler, P. Bai, M. Tsapatsis, and J. I. Siepmann, “Concentration effects on the selective extraction of ethanol from aqueous solution using silicalite-1 and decanol isomers,”Fluid Phase Equilib.,362,118-124 (2014).7. J. Friedrich, H. Yu, H. R. Leverentz, P. Bai, J. I. Siepmann, and D. G. Truhlar, “Water 26-mers drawn from bulk simulations: Benchmark binding energies for unprecedentedly large water clusters and assessment of the electrostatically embedded three-body and pairwise additive approximations,”J. Phys. Chem. Lett.,5,666-670 (2014).6. P. Bai, P. Ghosh, J. C. Sung, D. Kohen, J. I. Siepmann, and R. Q. Snurr, “A computational study of the adsorption of n-perfluorohexane in zeolite BCR-704,”Fluid Phase Equilib.,366,146-151 (2014).5. P. Bai, M. Tsapatsis, and J. I. Siepmann, “TraPPE-zeo: Transferable potentials for phase equilibria force field for all-silica zeolites,”J. Phys. Chem. C,117,24375-24387 (2013).4. P. Bai and J. I. Siepmann, “Selective adsorption from dilute solutions: Gibbs ensemble Monte Carlo simulations,”Fluid Phase Equilib.,351,1-6 (2013).3. P. Bai, J. I. Siepmann, and M. W. Deem, “Adsorption of glucose into zeolite beta from aqueous solution,”AIChE J.,59,3523-3529 (2013).2. P. Bai, M. Tsapatsis, and J. I. Siepmann, “Multicomponent adsorption of alcohols onto silicalite-1 from aqueous solution: Isotherms, structural analysis, and assessment of ideal adsorbed solution theory,”Langmuir,28,15566-15576 (2012).1. P. Bai and J. I. Siepmann, “Gibbs ensemble Monte Carlo simulations for the liquid-liquid phase equilibria of dipropylene glycol dimethyl ether and water: A preliminary report,”Fluid Phase Equilib.,310,11-18 (2011).